phenyl 2-methyl-1-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate

Systemtic Name: phenyl 2-methyl-1-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate Openeye Name: phenyl 2-methyl-1-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2-octyl-3-oxo-indane-5-carboxylate CAS Name: 2-methyl-1-[5-(4-octoxyphenyl)-2-pyrimidinyl]-2-octyl-3-oxo-1H-indene-5-carboxylic acid phenyl ester IUPAC Name: phenyl 2-methyl-1-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2-octyl-3-oxo-1H-indene-5-carboxylate Traditional Name: 3-keto-2-methyl-1-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2-octyl-indane-5-carboxylic acid phenyl ester Formula: C43H52N2O4 MolecularWeight: 660.88398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCCC)C

Isomeric SMILES

CCCCCCCCC1(C(C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCCC)C

InChI

InChI=1S/C43H52N2O4/c1-4-6-8-10-12-17-27-43(3)39(37-26-23-33(29-38(37)40(43)46)42(47)49-36-19-15-14-16-20-36)41-44-30-34(31-45-41)32-21-24-35(25-22-32)48-28-18-13-11-9-7-5-2/h14-16,19-26,29-31,39H,4-13,17-18,27-28H2,1-3H3